N-[(E)-but-2-enyl]-1-methylcyclohexan-1-amine

C11H21N — CID 107898901

IUPACN-[(E)-but-2-enyl]-1-methylcyclohexan-1-amine
SMILESC/C=C/CNC1(C)CCCCC1
InChIInChI=1S/C11H21N/c1-3-4-10-12-11(2)8-6-5-7-9-11/h3-4,12H,5-10H2,1-2H3/b4-3+
InChIKeyDRQJFTRHPUIDGE-ONEGZZNKSA-N
MW167.30 g/mol
LogP2.87
Rot. Bonds3

About N-[(E)-but-2-enyl]-1-methylcyclohexan-1-amine

N-[(E)-but-2-enyl]-1-methylcyclohexan-1-amine (PubChem CID 107898901) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-1-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-1-methylcyclohexan-1-amine
PubChem CID107898901
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-[(E)-but-2-enyl]-1-methylcyclohexan-1-amine
SMILESC/C=C/CNC1(C)CCCCC1
InChIInChI=1S/C11H21N/c1-3-4-10-12-11(2)8-6-5-7-9-11/h3-4,12H,5-10H2,1-2H3/b4-3+
InChIKeyDRQJFTRHPUIDGE-ONEGZZNKSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-but-2-enyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 103608632
1-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexan-1-amine
CID 55060313
[1-[[(E)-but-2-enyl]amino]cyclobutyl]methanol
CID 107899292
1-[[(Z)-but-2-enyl]amino]cyclopropane-1-carboxylic acid
CID 45082142
N-decyl-1-methylcyclohexan-1-amine
CID 63491392
1-[[[(E)-but-2-enyl]amino]methyl]cyclobutan-1-ol
CID 107899296
ethane;N-ethyl-1-methylcyclobutan-1-amine
CID 177037581
(E)-N-(1-methylcyclohexyl)but-2-enamide
CID 143504839
2-ethyl-1-N-(1-methylcyclohexyl)butane-1,2-diamine
CID 79812479
1-but-2-enylcyclohexane-1-carboxylic acid
CID 112734325
1-but-2-enylcycloheptane-1-carboxylic acid
CID 79429503
N-[(3-aminocyclobutyl)methyl]-1-methylcyclohexan-1-amine
CID 164652550

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-1-methylcyclohexan-1-amine?
The IUPAC name of N-[(E)-but-2-enyl]-1-methylcyclohexan-1-amine (CID 107898901) is N-[(E)-but-2-enyl]-1-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(E)-but-2-enyl]-1-methylcyclohexan-1-amine?
The canonical SMILES for N-[(E)-but-2-enyl]-1-methylcyclohexan-1-amine is C/C=C/CNC1(C)CCCCC1.
What is the InChIKey of N-[(E)-but-2-enyl]-1-methylcyclohexan-1-amine?
The InChIKey is DRQJFTRHPUIDGE-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H21N/c1-3-4-10-12-11(2)8-6-5-7-9-11/h3-4,12H,5-10H2,1-2H3/b4-3+.
What are the key properties of N-[(E)-but-2-enyl]-1-methylcyclohexan-1-amine?
N-[(E)-but-2-enyl]-1-methylcyclohexan-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-1-methylcyclohexan-1-amine is sourced from PubChem (CID 107898901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).